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Chemical ID: 7182282
Chemical ID:
7182282
Name [?]:
None
SMILES [?]:
CCCOc1cccc(c1)C2C3C(=O)CC(C=C3Nc4ccccc4N2)(C)C
InChi [?]:
InChI=1/C24H28N2O2/c1-4-12-28-17-9-7-8-16(13-17)23-22-20(14-24(2,3)15-21(22)27)25-18-10-5-6-11-19(18)26-23/h5-11,13-14,22-23,25-26H,4,12,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,28,2,22,23,7,8,6,21,24,3,10,17,15,9,5,20,25,18,13,12,11,16,19,26,14,4/E:(2,3)/rA:28cCCCOCCCCCCCCCOCCCCNCCCCCCNCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s12;d13;s13;s15;s16;s12d17;s18;s19;s20;d21;s22;d23;d20s24;s11s25;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28N2O2 |
All Atoms: | 56 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.5025 |
Area: | 583.575 |
Solvation: | -4.08685 |
Coulombic: | -39.3033 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 376.491 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.62 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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